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  • © 2013

Topological Modelling of Nanostructures and Extended Systems

  • Explains how topological mechanisms operate at the nanoscale
  • Presents electronic and magnetic features of graphenic nanostructures as an instrumental step toward spintronics applications
  • Written by leading scientists in the field
  • Annotated with over 250 figures

Part of the book series: Carbon Materials: Chemistry and Physics (CMCP, volume 7)

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Table of contents (16 chapters)

  1. Front Matter

    Pages i-xv
  2. First-Principles Study of the Electronic and Magnetic Properties of Defects in Carbon Nanostructures

    • Elton J. G. Santos, Andrés Ayuela, Daniel Sánchez-Portal
    Pages 41-76
  3. Structural Defects on the Electronic Transport Properties of Carbon-Based Nanostructures

    • Hui Zeng, Jun Zhao, Jianwei Wei, Jean-Pierre Leburton
    Pages 77-103
  4. Topological Versus Physical and Chemical Properties of Negatively Curved Carbon Surfaces

    • Marzio De Corato, Marco Bernasconi, Luca D’Alessio, Ottorino Ori, Mihai V. Putz, Giorgio Benedek
    Pages 105-136
  5. Topological Invariants of Möbius-Like Graphenic Nanostructures

    • Mihai V. Putz, Marzio De Corato, Giorgio Benedek, Jelena Sedlar, Ante Graovac, Ottorino Ori
    Pages 229-244
  6. Spanning Fullerenes as Units in Crystal Networks

    • Mircea V. Diudea, Beata Szefler
    Pages 245-264
  7. Introducing “Colored” Molecular Topology by Reactivity Indices of Electronegativity and Chemical Hardness

    • Mihai V. Putz, Ottorino Ori, Marzio De Corato, Ana-Maria Putz, Giorgio Benedek, Franco Cataldo et al.
    Pages 265-286
  8. Nanostructures and Eigenvectors of Matrices

    • István László, Ante Graovac, Tomaž Pisanski
    Pages 287-302
  9. Theoretical Analysis of the Reactivity of Carbon Nanotubes: Local Versus Topological Effects

    • Massimo Fusaro, Vincenzo Barone, Mauro Causa, Maddalena D’Amore, Carmine Garzillo
    Pages 303-323
  10. Study of Fullerenes by Some New Topological Index

    • Ali Reza Ashrafi, Mohammad Ali Iranmanesh, Zahra Yarahmadi
    Pages 473-485
  11. Topological Study of (3,6)– and (4,6)–Fullerenes

    • Ali Reza Ashrafi, Zeinab Mehranian
    Pages 487-510
  12. Back Matter

    Pages 561-575

About this book

Topological Modelling of Nanostructures and Extended Systems completes and expands upon the previously published title within this series: The Mathematics and Topology of Fullerenes (Vol. 4, 2011) by gathering the latest research and advances in materials science at nanoscale. It introduces a new speculative area and novel concepts like topochemical reactions and colored reactive topological indices and provides a better understanding of the physical-chemical behaviors of extended systems. Moreover, a charming new family of space-filling fullerenic crystals is here analyzed for the first time.

Particular attention is given to the fundamental influences exercised by long-range connectivity topological mechanisms on the chemical and physical properties of carbon nanostructures. Systems consisting in graphenic layers with structural and topological defects are investigated in their electronic and magnetic behaviors also in presence of metallic particles.

More specifically, the book focuses on:
- Electronic Properties of low dimensional nanostructures including negatively-curved carbon surfaces;
­ Pariser-Parr-Pople model hamiltonian approach to graphene studies;
- Topochemistry and Toporeactcivity of extended sp2-nanocarbons: PAH, fullerenes, nanoribbons, Moebius-like nanoribbons, nanotubes and grapheme;
- Novel class of crystal networks arising from spanning fullerenes;
- Nanostructures and eigenvectors of matrices and an extended treatise of topological invariants;
- Enumeration hetero-fullerenes by Polya theory.

Topological Modelling of Nanostructures and Extended Systems represents a valuable resource to advances graduates and researchers working in mathematics, chemistry, physics and material science.

Editors and Affiliations

  • , Department of Mathematics, University of Kashan, Kashan, Iran

    Ali Reza Ashrafi

  • , Department of Materials Science, Tor Vergata University, Rome, Italy

    Franco Cataldo

  • , Department of Mathematics, Tarbiat Modares University, Tehran, Iran

    Ali Iranmanesh

  • Actinium Chemical Research, Rome, Italy

    Ottorino Ori

About the editors

Prof. Dr. Ali Reza Ashrafi, University of Kashan, Department of Mathematics, Kashan, Iran

Prof. Dr. Franco Cataldo, Tor Vergata University, Department of Materials Science, Rome, Italy

Prof. Dr. Ali Iranmanesh, Tarbiat Modares University, Department of Mathematics, Tehran, Iran

Dr. Ottorino Ori, Actinium Chemical Research, Rome, Italy

Bibliographic Information

Buy it now

Buying options

eBook USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access